4-Butoxyphenol - CAS 122-94-1
Catalog: |
BB005607 |
Product Name: |
4-Butoxyphenol |
CAS: |
122-94-1 |
Synonyms: |
4-butoxyphenol |
IUPAC Name: | 4-butoxyphenol |
Description: | An impurity of Pramoxine which is in a class of medications called topical anesthetics. |
Molecular Weight: | 166.22 |
Molecular Formula: | C10H14O2 |
Canonical SMILES: | CCCCOC1=CC=C(C=C1)O |
InChI: | InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3 |
InChI Key: | MBGGFXOXUIDRJD-UHFFFAOYSA-N |
Boiling Point: | 278 ℃ at 760 mmHg |
Melting Point: | 65-66 ℃ |
Purity: | 99 % |
Density: | 1.029 g/cm3 |
MDL: | MFCD00002336 |
LogP: | 2.57110 |
GHS Hazard Statement: | H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
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Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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